SCHEMBL334078

SCHEMBL334078

CCOC(=O)c1[nH]c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 1/20 0.48
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 5/20 0.46
NPC1 O15118 3/20 0.46
MAPT P10636 3/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 2/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 4/20 0.46
CYP1A2 P05177 1/20 0.44
XBP1 P17861 1/20 0.44
CYP2C19 P33261 1/20 0.44
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
GABRA1 P14867 2/20 0.43
GABRG2 P18507 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4026026 0.90 ALDH1A1 (0.47) KMT2AMEN1KDM4EALDH1A1NPC1
SCHEMBL3001445 0.87 KDM4E (0.51) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL5737134 0.84 ALDH1A1 (0.62) KMT2AMEN1KDM4EALDH1A1NPC1
SCHEMBL4025188 0.82 GPR35 (0.54) KMT2AMEN1MAPTGABRA1GABRG2
SCHEMBL5748188 0.81 ALOX15 (0.45) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL385458 0.80 ALDH1A1 (0.57) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL26213303 0.79 KMT2A (0.56) KMT2AMEN1KDM4EALDH1A1NPC1
SCHEMBL2351650 0.79 GABRA1 (0.60) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL830378 0.79 ALDH1A1 (0.71) KMT2AMEN1KDM4EALDH1A1NPC1
SCHEMBL4023351 0.79 MMP2 (0.52) KMT2AMEN1POLBKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097623-B2 1-Aryl-or heteroaryl-3-aryl-or heteroarylindole-2-carboxylic acids or esters: e.g., 5-(4-tert-Butylphenyl)-1,3-bis(4-isopropoxyphenyl)-indole-2-carboxylic acid; inhibition of the activity of microsomal prostaglandin E synthase-1, leukotriene C4 and/or 5-lipoxygenase-activating protein; analgesics BIOLIPOX AB (SE) 2012-01-17 US disclosed
EP-1841735-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2011-03-09 EP disclosed
US-20100197687-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2010-08-05 US disclosed
EP-1765775-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-04-29 EP disclosed
US-20090076004-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-03-19 US disclosed
EP-1778633-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-12-03 EP disclosed
US-20080188473-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2008-08-07 US disclosed
US-20080146616-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2008-06-19 US disclosed
EP-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
EP-1841736-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
EP-1765775-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-03-28 EP disclosed
WO-2006077367-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed
WO-2005123675-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-12-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100197687-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, TPH1 KMT2A 3808/4885MEN1 2218/4885POLB 4630/4885
US-20080146616-A1 Indoles Useful in the Treatment of Inflammation IDO1, PTGS1, PTGER1 KMT2A 3934/4885MEN1 3500/4885POLB 3614/4885
US-20090076004-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG KMT2A 3484/4885MEN1 2066/4885POLB 4401/4885
US-20080188473-A1 Indoles Useful in the Treatment of Inflammation IDO1, PTGS1, PTGER1 KMT2A 3882/4885MEN1 3623/4885POLB 3716/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.